smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N+](C)(C)CC(=O)NN=C1CCC[C@H]1c1cccc(C(F)(F)F)c1	ZINC000788952292	717188959	/nfs/dbraw/zinc/18/89/59/717188959.db2.gz	UYZATWDPYQMGQM-AWEZNQCLSA-O	1	0	342.385	3.151	20	50		EGGDRO
CC(=NNC(=O)C[N+](C)(C)C)c1ccc(Cl)c(Cl)c1Cl	ZINC000916270606	717193248	/nfs/dbraw/zinc/19/32/48/717193248.db2.gz	KPTUZZXUSDDGHD-UHFFFAOYSA-O	1	0	337.658	3.193	20	50		EGGDRO
C[N+](C)(C)CC(=O)NN=Cc1ccc(-c2ccc(Cl)cc2)s1	ZINC000751380656	717188615	/nfs/dbraw/zinc/18/86/15/717188615.db2.gz	POEOMRPQTLQAOI-UHFFFAOYSA-O	1	0	336.868	3.225	20	50		EGGDRO
C[N+](C)(C)CC(=O)NN=C1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1	ZINC000799465956	717191124	/nfs/dbraw/zinc/19/11/24/717191124.db2.gz	SWAIPLKYJPMXCX-CYBMUJFWSA-O	1	0	342.385	3.151	20	50		EGGDRO
C[N+](C)(C)CC(=O)NN=Cc1ccc(SCc2ccccc2)cc1	ZINC000794457508	717190332	/nfs/dbraw/zinc/19/03/32/717190332.db2.gz	SAKSYHPIFQUIOK-UHFFFAOYSA-O	1	0	342.488	3.135	20	50		EGGDRO
CC(=NNC(=O)C[N+](C)(C)C)c1ccc(-c2c(F)cccc2F)cc1	ZINC000811629855	717191103	/nfs/dbraw/zinc/19/11/03/717191103.db2.gz	ISXMCIAPBNHXGQ-UHFFFAOYSA-O	1	0	346.401	3.178	20	50		EGGDRO
C[N+](C)(C)CC(=O)NN=C1CCC[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000794457890	717190345	/nfs/dbraw/zinc/19/03/45/717190345.db2.gz	WDQVNKASKAPANT-AWEZNQCLSA-O	1	0	342.385	3.151	20	50		EGGDRO
Cn1c2ccccc2c(C=NNC(=O)C[N+](C)(C)C)c1-c1ccccc1	ZINC000916270652	717192956	/nfs/dbraw/zinc/19/29/56/717192956.db2.gz	MUGGTFNYLRJRSR-UHFFFAOYSA-O	1	0	349.458	3.002	20	50		EGGDRO
CCC(=NNC(=O)C[N+](C)(C)C)c1ccc(Oc2ccccc2)cc1	ZINC000921251945	717195095	/nfs/dbraw/zinc/19/50/95/717195095.db2.gz	VQMXEWFBQYGJNA-UHFFFAOYSA-O	1	0	340.447	3.415	20	50		EGGDRO
CC(C)(C)c1ccc(-c2ccc(C=NNC(=O)C[N+](C)(C)C)o2)cc1	ZINC000794456099	717189209	/nfs/dbraw/zinc/18/92/09/717189209.db2.gz	HZDTYNXXIXBJLD-UHFFFAOYSA-O	1	0	342.463	3.400	20	50		EGGDRO
C[N+](C)(C)CC(=O)NN=C1CCC[C@@H]1c1cccc(C(F)(F)F)c1	ZINC000788952293	717188774	/nfs/dbraw/zinc/18/87/74/717188774.db2.gz	UYZATWDPYQMGQM-CQSZACIVSA-O	1	0	342.385	3.151	20	50		EGGDRO
CCC(Cc1ccc(Cl)cc1Cl)=NNC(=O)C[N+](C)(C)C	ZINC000794456866	717190000	/nfs/dbraw/zinc/19/00/00/717190000.db2.gz	NKUOXSQSYROLNB-UHFFFAOYSA-O	1	0	331.267	3.124	20	50		EGGDRO
C[N+](C)(C)CC(=O)NN=Cc1ccc(-c2ccc(Cl)cc2)cc1	ZINC000788951683	717188963	/nfs/dbraw/zinc/18/89/63/717188963.db2.gz	REOABFJGQXICGR-UHFFFAOYSA-O	1	0	330.839	3.163	20	50		EGGDRO
C[N+](C)(C)CC(=O)NN=C1CCC[C@@H]1c1ccc(C(F)(F)F)cc1	ZINC000794457891	717190547	/nfs/dbraw/zinc/19/05/47/717190547.db2.gz	WDQVNKASKAPANT-CQSZACIVSA-O	1	0	342.385	3.151	20	50		EGGDRO
CCCC(=NNC(=O)C[N+](C)(C)C)c1ccc(Cl)c(Cl)c1	ZINC000794457246	717189925	/nfs/dbraw/zinc/18/99/25/717189925.db2.gz	QAOWXVGQZFDDMR-UHFFFAOYSA-O	1	0	331.267	3.320	20	50		EGGDRO
Cc1ccc(C(Cc2ccccc2)=NNC(=O)C[N+](C)(C)C)cc1C	ZINC000794455529	717189218	/nfs/dbraw/zinc/18/92/18/717189218.db2.gz	HPXWGBFDRRZURQ-UHFFFAOYSA-O	1	0	338.475	3.073	20	50		EGGDRO
CCC(CSc1ccc(Cl)cc1)=NNC(=O)C[N+](C)(C)C	ZINC000794456258	717189818	/nfs/dbraw/zinc/18/98/18/717189818.db2.gz	KDNJAYJTHMVKKO-UHFFFAOYSA-O	1	0	328.889	3.021	20	50		EGGDRO
C[N+](C)(C)CC(=O)NN=C(CCCc1ccccc1)c1ccccc1	ZINC000916541486	717194036	/nfs/dbraw/zinc/19/40/36/717194036.db2.gz	XRXBRQYMBZRYJW-UHFFFAOYSA-O	1	0	338.475	3.236	20	50		EGGDRO
C[N+](C)(C)CC(=O)NN=C1CCC[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000794455291	717189357	/nfs/dbraw/zinc/18/93/57/717189357.db2.gz	DVOFCKYVBPWXKU-LBPRGKRZSA-O	1	0	343.278	3.439	20	50		EGGDRO
CC(CC(C)(C)c1c[nH]c2ccccc21)=NNC(=O)C[N+](C)(C)C	ZINC000799465824	717190788	/nfs/dbraw/zinc/19/07/88/717190788.db2.gz	QKCKBIWKPVGJAI-UHFFFAOYSA-O	1	0	329.468	3.034	20	50		EGGDRO
C[N+](C)(C)CC(=O)NN=C(CCc1ccccc1)Cc1ccccc1	ZINC000794458264	717190442	/nfs/dbraw/zinc/19/04/42/717190442.db2.gz	YWZNDHFNFJOYIA-UHFFFAOYSA-O	1	0	338.475	3.040	20	50		EGGDRO
CC(=NNC(=O)C[N+](C)(C)C)c1cc(F)ccc1SC(C)(C)C	ZINC000794458276	717190734	/nfs/dbraw/zinc/19/07/34/717190734.db2.gz	ZDIKDZIFEUOQQC-UHFFFAOYSA-O	1	0	340.488	3.263	20	50		EGGDRO
C[N+](C)(C)CC(=O)NN=C1CCC[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000794455290	717189205	/nfs/dbraw/zinc/18/92/05/717189205.db2.gz	DVOFCKYVBPWXKU-GFCCVEGCSA-O	1	0	343.278	3.439	20	50		EGGDRO
C[N+](C)(C)CC(=O)NN=Cc1ccc(-c2ccccc2Cl)s1	ZINC000873853935	717192331	/nfs/dbraw/zinc/19/23/31/717192331.db2.gz	PHNYSGLTSCRZGE-UHFFFAOYSA-O	1	0	336.868	3.225	20	50		EGGDRO
CC(C)(C)c1cc(C=NNC(=O)C[N+](C)(C)C)cc(C(C)(C)C)c1O	ZINC000916270921	717193928	/nfs/dbraw/zinc/19/39/28/717193928.db2.gz	WFHKSSDOUHUIDC-UHFFFAOYSA-O	1	0	348.511	3.144	20	50		EGGDRO
C[N+](C)(C)CC(=O)NN=C1CC[C@H](c2ccc(C(F)(F)F)cc2)C1	ZINC000799465957	717191025	/nfs/dbraw/zinc/19/10/25/717191025.db2.gz	SWAIPLKYJPMXCX-ZDUSSCGKSA-O	1	0	342.385	3.151	20	50		EGGDRO
CC(=NNC(=O)C[N+](C)(C)C)c1ccc(Oc2ccccc2)c(F)c1	ZINC000917531459	717193958	/nfs/dbraw/zinc/19/39/58/717193958.db2.gz	STRLAHLMEBJPSZ-UHFFFAOYSA-O	1	0	344.410	3.164	20	50		EGGDRO